| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 18 | Yes |
Popular Name: 4-ethyl-2-(4-methyl-1,4-diazepan-1-yl)thiazole-5-carboxylic 4-ethyl-2-(4-methyl-1,4-diazepan…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.86 | 8.36 | -76.73 | 1 | 5 | 0 | 61 | 269.37 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 6.34 | -51.8 | 0 | 5 | -1 | 59 | 268.362 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 8.71 | -90.84 | 2 | 5 | 1 | 62 | 270.378 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
